SCHEMBL8225734

SCHEMBL8225734

C=C(N)[C@H](CN1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.38
▸ AKT1S1 Q96B36 3/20 0.35
▸ MC4R P32245 4/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PDE2A O00408 5/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ AKT2 P31751 2/20 0.34
▸ AKT3 Q9Y243 2/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2738510 0.91 PDE2A (0.38) RPS6KB1MC4RHTR2AHTR2CHTR2B
SCHEMBL2738553 0.91 PDE2A (0.38) RPS6KB1MC4RHTR2AHTR2CHTR2B
SCHEMBL684792 0.85 PAX8 (0.39) MC4RPDE2ACDK2MAPK1AKT1
SCHEMBL684943 0.85 PAX8 (0.39) MC4RPDE2ACDK2MAPK1AKT1
SCHEMBL679705 0.84 PDE2A (0.39) AKT1S1MC4RPDE2ACDK2MAPK1
SCHEMBL680794 0.84 PDE2A (0.39) AKT1S1MC4RPDE2ACDK2MAPK1
SCHEMBL2738568 0.80 MC4R (0.41) MC4RHTR2AHTR2CHTR2BPDE2A
SCHEMBL2738567 0.80 MC4R (0.41) MC4RHTR2AHTR2CHTR2BPDE2A
SCHEMBL8229022 0.76 IGF1R (0.44) —
SCHEMBL2738828 0.75 PDE2A (0.45) PDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 — — EP disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — WO disclosed
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